Bereiche | Tage | Auswahl | Suche | Downloads | Hilfe
O: Oberflächenphysik
O 28: Adsorption an Oberfl
ächen (IV)
O 28.7: Vortrag
Donnerstag, 25. März 1999, 12:45–13:00, S2
Xe-Ag(001) and electric fields — •S. Clarke1, M. Nekovee2, J.E. Inglesfield3, and P.K. de Boer4 — 1Institut für Festkörperforschung, Forschungszentrum Jülich, 52425 Jülich. — 2Department of Physics, The Blacket Laboratory, Imperial College, London, SW7 2BZ, United Kingdom. — 3Department of Physics and Astronomy, University of Wales Cardiff, PO Box 913, Cardiff, CF2 3YB, United Kingdom. — 4Department of Physics, University of Nijmegen, Toernooiveld, NL-6525 ED Nijmegen, The Netherlands.
FLAPW calculations for the electronic structure of Xe c(2x2)-Ag(001) were performed within the LDA using the embedding method to provide a true semi infinite substrate. These calculations included the application of a static planar electric field to the system, and the effect of this perturbation on the electronic structure of the system was studied yielding results in good agreement with classical estimates for screening. The concept of effective charge was generalised to arbitrary electric fields and a method for obtaining forces without calculating total energies was illustrated using this concept. This concept was then used to make estimates of the forces felt by an Xe atom adsorbed on an Ag(001) substrate in the presence of an applied field and the results were used to make some comment on field desorption experiments and the Eigler atomic switch.